41 Known Ingredients in Total


Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.



13 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC95974
Formula: C19H24O5

Ingredient ID: NPC92470
Formula: C15H18O4

Ingredient ID: NPC87276
Formula: C15H21ClO5

Ingredient ID: NPC8583
Formula: C15H19ClO4

Ingredient ID: NPC79298
Formula: C24H32O4

Ingredient ID: NPC76606
Formula: C33H40O20

Ingredient ID: NPC55153
Formula: C19H20O6

Ingredient ID: NPC45557
Formula: C19H22O6

Ingredient ID: NPC4543
Formula: C21H30O9

Ingredient ID: NPC44931
Formula: C27H30O14

Ingredient ID: NPC40027
Formula: C25H24O12

Ingredient ID: NPC38392
Formula: C19H22O6

Ingredient ID: NPC309757
Formula: C15H18O4

Ingredient ID: NPC302857
Formula: C16H18O9

Ingredient ID: NPC300289
Formula: C19H20O6

Ingredient ID: NPC294902
Formula: C9H8O4

Ingredient ID: NPC284948
Formula: C25H24O12

Ingredient ID: NPC280447
Formula: C24H32O5

Ingredient ID: NPC278068
Formula: C16H18O9

Ingredient ID: NPC275394
Formula: C27H30O15

Ingredient ID: NPC271270
Formula: C27H32O14

Ingredient ID: NPC263674
Formula: C21H32O9

Ingredient ID: NPC261372
Formula: C21H32O9

Ingredient ID: NPC259175
Formula: C21H30O9

Ingredient ID: NPC255250
Formula: C15H20O4

Ingredient ID: NPC242475
Formula: C16H18O9

Ingredient ID: NPC224389
Formula: C25H24O12

Ingredient ID: NPC223147
Formula: C16H18O9

Ingredient ID: NPC210073
Formula: C27H30O15

Ingredient ID: NPC210003
Formula: C21H20O10

Ingredient ID: NPC207114
Formula: C19H22O5

Ingredient ID: NPC189142
Formula: C21H20O11

Ingredient ID: NPC184555
Formula: C24H32O6

Ingredient ID: NPC175481
Formula: C16H18O9

Ingredient ID: NPC163665
Formula: C21H30O9

Ingredient ID: NPC158352
Formula: C15H20O6

Ingredient ID: NPC13818
Formula: C25H24O12

Ingredient ID: NPC137462
Formula: C24H34O5

Ingredient ID: NPC135232
Formula: C15H22O5

Ingredient ID: NPC124275
Formula: C24H30O6

Ingredient ID: NPC118068
Formula: C16H18O9

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC118068 C16H18O9 354.0950822 -2.1962 2.23 -0.018 7 6 164.75 5 2 25 1
NPC124275 C24H30O6 414.2042387 -1.3706 3.44 1.974 6 2 96.36 2 6 30 0
NPC135232 C15H22O5 (3R,3aR,6aR,8S,9S,9aR,9bR)-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2-one 282.1467238 -1.2737 2.56 0.67 5 3 86.99 1 3 20 0
NPC137462 C24H34O5 Telocinobufagin 402.24 -0.5364 3.55 2.582 5 3 86.99 6 5 29 0
NPC13818 C25H24O12 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
NPC158352 C15H20O6 (3R,3aR,4S,6aR,9S,9aR,9bR)-3,4-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione 296.1259884 -1.8525 2.45 -1.195 6 3 104.06 1 3 21 0
NPC163665 C21H30O9 (3S,3aR,4S,6aR,9S,9aR,9bR)-3,9-dimethyl-6-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione 426.1889825 -2.1107 2.78 -1.082 9 4 142.75 3 4 30 0
NPC175481 C16H18O9 354.0950822 -2.1962 2.23 -0.876 7 6 164.75 5 2 25 1
NPC184555 C24H32O6 416.2198887 -1.3708 3.44 1.986 6 3 104.06 6 5 30 0
NPC189142 C21H20O11 Galuteolin 448.1 -4.0917 2.56 -0.075 6 7 186.37 11 4 32 1
NPC207114 C19H22O5 Aguerin B 330.15 1.8392 3 0.815 5 1 72.83 5 3 24 0
NPC210003 C21H20O10 Apigetrin 432.11 -3.6314 2.67 0.459 6 6 166.14 10 4 31 1
NPC210073 C27H30O15 2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxychromen-4-One 594.16 -5.3386 2.78 -0.909 10 9 245.29 16 5 42 1
NPC223147 C16H18O9 354.0950822 -2.1962 2.23 -0.018 7 6 164.75 5 2 25 1
NPC224389 C25H24O12 3,4-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
NPC242475 C16H18O9 (1S,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC255250 C15H20O4 (3S,3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione 264.1361591 -0.3638 2.67 0.026 4 1 63.6 0 3 19 0
NPC259175 C21H30O9 426.1889825 -2.1107 2.78 -1.082 9 4 142.75 3 4 30 0
NPC261372 C21H32O9 428.2046326 -2.2982 2.78 -0.669 9 5 145.91 10 4 30 0
NPC263674 C21H32O9 428.2046326 -2.2982 2.78 -0.669 9 5 145.91 10 4 30 0
NPC271270 C27H32O14 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 15 5 41 1
NPC275394 C27H30O15 594.1584703 -5.3386 2.78 -0.909 10 9 245.29 6 5 42 1
NPC278068 C16H18O9 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC280447 C24H32O5 400.2249741 -0.5362 3.55 2.57 5 2 79.29 1 6 29 0
NPC284948 C25H24O12 Cynarin 516.13 -2.3865 2.89 1.514 8 7 211.28 16 3 37 1
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC300289 C19H20O6 344.1259884 0.7746 2.89 -0.165 6 1 89.9 4 3 25 0
NPC302857 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC309757 C15H18O4 Grossheimin 262.12 -0.1467 2.67 -0.156 4 1 63.6 2 3 19 0
NPC38392 C19H22O6 Cynaropicrin 346.14 0.7485 2.89 -0.222 6 2 93.06 6 3 25 0
NPC40027 C25H24O12 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC44931 C27H30O14 578.1635556 -4.8783 2.89 -0.375 10 8 225.06 15 5 41 1
NPC4543 C21H30O9 (3S,3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3-methyl-6,9-dimethylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one 426.1889825 -1.6479 2.78 -1.324 9 5 145.91 3 4 30 0
NPC45557 C19H22O6 346.1416384 0.7485 2.89 -0.222 6 2 93.06 4 3 25 0
NPC55153 C19H20O6 344.1259884 0.7746 2.89 -0.165 6 1 89.9 4 3 25 0
NPC76606 C33H40O20 756.2112937 -7.0855 2.89 -2.446 15 12 324.44 9 6 53 2
NPC79298 C24H32O4 Bufogenin 384.23 -0.0971 3.66 4.113 4 1 59.06 4 6 28 0
NPC8583 C15H19ClO4 298.0971868 0.1184 2.56 1.302 4 1 63.6 1 3 20 0
NPC87276 C15H21ClO5 (3S,3aR,4S,6aR,8S,9S,9aR,9bR)-3-(chloromethyl)-3,4,8-trihydroxy-9-methyl-6-methylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2-one 316.1077515 -0.8354 2.45 0.263 5 3 86.99 1 3 21 0
NPC92470 C15H18O4 262.1205091 -0.1467 2.67 -0.156 4 1 63.6 0 3 19 0
NPC95974 C19H24O5 [(3aR,4S,6aR,8S,9aR,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate 332.1623739 1.4196 3 0.888 5 1 72.83 3 3 24 0

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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties